5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione

C15H18N2O3 — CID 66391954

IUPAC5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2c(c1)CC(CN1C(=O)NC(=O)C1(C)C)O2
InChIInChI=1S/C15H18N2O3/c1-9-4-5-12-10(6-9)7-11(20-12)8-17-14(19)16-13(18)15(17,2)3/h4-6,11H,7-8H2,1-3H3,(H,16,18,19)
InChIKeyVJJFAKKLPINRQC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.63
Rot. Bonds2

About 5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione

5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 66391954) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID66391954
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2c(c1)CC(CN1C(=O)NC(=O)C1(C)C)O2
InChIInChI=1S/C15H18N2O3/c1-9-4-5-12-10(6-9)7-11(20-12)8-17-14(19)16-13(18)15(17,2)3/h4-6,11H,7-8H2,1-3H3,(H,16,18,19)
InChIKeyVJJFAKKLPINRQC-UHFFFAOYSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione
CID 66391953
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazin-2-one
CID 66360874
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66360837
3-ethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66392147
1-ethyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrimidine-2,4-dione
CID 66392540
3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360253
4,5-dichloro-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
CID 114386479
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
5,5-dimethyl-1-(oxiran-2-ylmethyl)imidazolidine-2,4-dione;propan-2-ol
CID 158725431
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine
CID 66361747
N-methyl-1-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-2-yl]methanamine
CID 66403294

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione (CID 66391954) is 5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione is Cc1ccc2c(c1)CC(CN1C(=O)NC(=O)C1(C)C)O2.
What is the InChIKey of 5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is VJJFAKKLPINRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-4-5-12-10(6-9)7-11(20-12)8-17-14(19)16-13(18)15(17,2)3/h4-6,11H,7-8H2,1-3H3,(H,16,18,19).
What are the key properties of 5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione?
5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 66391954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).